Mrv1652306242107393D 32 34 0 0 0 0 999 V2000 1.4695 3.3046 1.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3635 2.0842 1.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4986 1.2365 1.2452 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3123 0.0482 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3943 -0.8357 0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 -2.0157 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 -2.2732 -0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9606 -1.4375 -0.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 -0.2623 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 0.6940 0.0381 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2263 1.6753 -0.9679 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3414 0.1381 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7009 -0.0498 -1.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9426 -0.5673 -1.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8483 -0.9069 -0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4334 -0.6969 0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1973 -0.1808 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 1.3352 1.3738 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0033 2.1703 1.6722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4247 1.4589 1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3531 -0.6009 0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1297 -2.6886 -0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9308 -3.2010 -1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -1.7359 -1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 2.5191 -0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 0.1877 -2.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -0.7359 -2.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8201 -1.3120 -1.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1282 -0.9556 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9639 -0.0516 1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1206 0.5559 2.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7118 3.0997 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 10 18 1 0 0 0 0 18 19 1 0 0 0 0 18 2 1 0 0 0 0 9 4 1 0 0 0 0 17 12 1 0 0 0 0 3 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 11 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 1 0 0 0 19 32 1 0 0 0 0 M END > NP0010630 > NP-MRD > [H]O[C@]1([H])C(=O)N([H])C2=C([H])C([H])=C([H])C([H])=C2[C@@]1(O[H])C1=C([H])C([H])=C([H])C([H])=C1[H] > InChI=1S/C15H13NO3/c17-13-14(18)16-12-9-5-4-8-11(12)15(13,19)10-6-2-1-3-7-10/h1-9,13,17,19H,(H,16,18)/t13-,15+/m1/s1 > ICAOEYXCZNNQNW-HIFRSBDPSA-N > C15H13NO3 > 255.273 > 255.089543283 > 3 > 32 > 26.142734375010782 > 1 > 3 > 0 > 1 > (3S,4S)-3,4-dihydroxy-4-phenyl-1,2,3,4-tetrahydroquinolin-2-one > 1.50 > 1.2360790099999999 > -1.96 > 0 > 3 > 0 > 11.394914053523665 > 10.788136942270874 > -4.051307168784818 > 69.56 > 71.5888 > 1 > 1 > 2.80e+00 g/l > aflaquinolone F > 0 > NP0010630 > Aflaquinolone F $$$$